1-adamantyl-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[2-(4-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]methanone Formula: C27H33ClN4O MolecularWeight: 465.03012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl)C

InChI

InChI=1S/C27H33ClN4O/c1-17-18(2)29-24(22-3-5-23(28)6-4-22)30-25(17)31-7-9-32(10-8-31)26(33)27-14-19-11-20(15-27)13-21(12-19)16-27/h3-6,19-21H,7-16H2,1-2H3